基于苯并噻二唑的新型富勒烯受体光伏材料的合成、表征及光伏性能.docVIP

  基于苯并噻二唑的新型富勒烯受体光伏材 料的合成、表征及光伏性能# 周行浩，陈木青，赵雪梅，谢丽欣，杨上峰** 5 10 15 20 25 30 （中国科学技术大学材料科学与工程系，中国科学院能量转换材料重点实验室，安徽合肥 230026） 摘要：本文利用 Prato 反应合成了两种基于苯并噻二唑的新型富勒烯 C60 受体光伏材料并研 究了其光伏性能。通过改变富勒烯侧链上共轭链的长度，我们设计合成了基于 4-(2,2-二噻 吩-5)-7-(5-(2-己基癸基)-2,2-二噻吩-5)苯并[c][1,2,5]噻二唑 (BTHDBTBT) 和 4,7-二(4-辛基 噻吩-2-基)苯并[c][1,2,5]噻二唑（BOTBT）的两种 C60 受体光伏材料（ BTHDBTBT-C60, BOTBT-C60）并对其电子性质和光伏性能进行了对比研究。通过核磁共振氢谱和碳谱，质谱 对所合成的 BTHDBTBT-C60 和 BOTBT-C60 的分子结构进行了表征，并通过紫外-可见吸收光 谱，荧光光谱和电化学测试研究了其光学和电学性质，通过密度泛函理论计算了其能级、带 隙以及电子云的分布。研究结果表明 BTHDBTBT-C60 和 BOTBT-C60 均具有较宽的光吸收范 围，较高的 LUMO 能级和较强的分子内电荷转移。最后将 BTHDBTBT-C60 和 BOTBT-C60 分别作为受体光伏材料与聚己基噻吩（P3HT）给体光伏材料按照 0.7:1（w/w）共混制备了 体相异质结光活性层薄膜，以此为基础组装出的聚合物太阳能电池器件的能量转换效率分别 为 0.15%和 0.47%。这一对比结果揭示了富勒烯受体光伏材料的分子结构对光伏性能的影响。 关键词：富勒烯；聚合物太阳能电池；体相异质结；受体光伏材料；苯并噻二唑 中图分类号：O621.2 Synthesis, characterization and photovoltaic property of novel fullerene acceptor photovoltaic materials based on benzothiadiazole ZHOU Xinghao, CHEN Muqing, ZHAO Xuemei, XIE Lixin, YANG Shangfeng (CAS Key Laboratory of Materials for Energy Conversion Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026) Abstract: We synthesized two novel fullerene C60 acceptor photovoltaic materials based on benzothiadiazole via Prato reaction, and studied their photovoltaic properties. By adjusting the length of the conjugated chains attached to the fullerene, we designed and synthesized two fullerene acceptor photovoltaic materials, BTHDBTBT-C60 and BOTBT-C60, which contain either 4-(2,2-bithiophen-5-yl)-7-(5-(2-hexyldecyl)-2,2-bithiophen-5-yl)benzo[c] [1,2,5]thiadiazole (BTHDBTBT) or 4,7-bis(4-octylthiophen-2-yl)benzo[c][1,2,5]thiadiazole (BOTBT) moiety, for 35 40 45 which the electronic and photovoltaic properties were compared. The molecular structures of BTHDBTBT-C60 and BOTBT-C60, were determined by 1H- and 13C-NMR and mass spectrometry, and their optical and electronic properties were characterized by UV-vis, fluorescence spectroscopies and